5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

C22H27N3O2 — CID 67618932

IUPAC5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCN3CCC[C@H](Cc4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C22H27N3O2/c26-21(18-8-9-19-20(14-18)24-22(27)23-19)10-12-25-11-4-7-17(15-25)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,14,17,21,26H,4,7,10-13,15H2,(H2,23,24,27)/t17-,21?/m1/s1
InChIKeyRUWLHUXWXREDIY-OQHSHRKDSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds6

About 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 67618932) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID67618932
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCN3CCC[C@H](Cc4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C22H27N3O2/c26-21(18-8-9-19-20(14-18)24-22(27)23-19)10-12-25-11-4-7-17(15-25)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,14,17,21,26H,4,7,10-13,15H2,(H2,23,24,27)/t17-,21?/m1/s1
InChIKeyRUWLHUXWXREDIY-OQHSHRKDSA-N
XLogP3.23
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol
CID 153405646
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-methyl-1H-indole
CID 70065387
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (CID 67618932) is 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)CCN3CCC[C@H](Cc4ccccc4)C3)cc2[nH]1.
What is the InChIKey of 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RUWLHUXWXREDIY-OQHSHRKDSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(18-8-9-19-20(14-18)24-22(27)23-19)10-12-25-11-4-7-17(15-25)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,14,17,21,26H,4,7,10-13,15H2,(H2,23,24,27)/t17-,21?/m1/s1.
What are the key properties of 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 67618932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).